2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one

C18H18N6O2 — CID 176718879

IUPAC2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one
SMILESCOc1nn(-c2ccc3nn(-c4ccc(C)nc4C)cc3c2)c(=O)n1C
InChIInChI=1S/C18H18N6O2/c1-11-5-8-16(12(2)19-11)23-10-13-9-14(6-7-15(13)20-23)24-18(25)22(3)17(21-24)26-4/h5-10H,1-4H3
InChIKeyDYRNAIJGQQKVQT-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.93
Rot. Bonds3

About 2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one

2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one (PubChem CID 176718879) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one
PubChem CID176718879
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one
SMILESCOc1nn(-c2ccc3nn(-c4ccc(C)nc4C)cc3c2)c(=O)n1C
InChIInChI=1S/C18H18N6O2/c1-11-5-8-16(12(2)19-11)23-10-13-9-14(6-7-15(13)20-23)24-18(25)22(3)17(21-24)26-4/h5-10H,1-4H3
InChIKeyDYRNAIJGQQKVQT-UHFFFAOYSA-N
XLogP1.93
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one
CID 176718779
2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one
CID 176718783
2-(2-chlorophenyl)-5-methoxyindazole
CID 102305740
5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione
CID 163385335
7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one
CID 161210181
3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine
CID 89432212
5-(cyclopropylmethyl)-7-iodo-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385273
N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25106293
4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385298
2,5-dimethylindazole
CID 58763639
5-methoxy-2-pyridin-3-ylindazole
CID 121320237
2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde
CID 174927014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one (CID 176718879) is 2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one is COc1nn(-c2ccc3nn(-c4ccc(C)nc4C)cc3c2)c(=O)n1C.
What is the InChIKey of 2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one?
The InChIKey is DYRNAIJGQQKVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-11-5-8-16(12(2)19-11)23-10-13-9-14(6-7-15(13)20-23)24-18(25)22(3)17(21-24)26-4/h5-10H,1-4H3.
What are the key properties of 2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one?
2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one has a molecular weight of 350.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 176718879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).